Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameSCHEMBL6117615
Molecular formulaC22H16F2N2O3
IUPAC name6-[[6-fluoro-2-(4-fluorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylic acid
Molecular weight394.378
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.3
SynonymsUS8680120, 25-31
CHEMBL3665568
BDBM119474
Inchi KeyYXPWKAMVDKTKQV-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H16F2N2O3/c1-29-21-10-14-9-19(13-5-7-15(23)8-6-13)26(20(14)11-17(21)24)12-16-3-2-4-18(25-16)22(27)28/h2-11H,12H2,1H3,(H,27,28)
PubChem CID69670895
ChEMBLCHEMBL3665568
IUPHARN/A
BindingDB119474
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
421746Prostaglandin E2 receptor EP1 subtypeP70597Ptger1Rattus norvegicus (Rat)405

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218